UCSF

ZINC52887957

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 26 Yes

Popular Name: 1-phenyl-6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-phenyl-6-[3-(2,2,2-trifluoroet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.92 6.33 -46.59 0 6 -1 76 383.375 8 ↓
Mid Mid (pH 6-8) 3.46 7.74 -16.81 1 6 0 73 384.383 8 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.